N dependence of the valence-band offset in (GaAs)n(AlAs)n

Role of charge redistribution, interface dipoles, and cation 3d states

S. Massidda, B. I. Min, Arthur J Freeman

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

A systematic study of the binding energy of core levels in (GaAs)n(AlAs)n (001) superlattices (nǍ3) was performed in order to assess the role of interface effects in the stabilization of the valence-band offset, a Ev, at the lattice-matched common-anion GaAs/AlAs (001) interface. Core levels were obtained from self-consistent all-electron local-density band-structure calculations of the superlattices. Sizable differences (ËǍ1/40.08 eV) for a Ev found using interface and bulk core levels for n=3 indicate that convergence is not achieved at distances too close to the interface. The n=1 value is found to give the correct offset only within ËǍ1/40.11 eV. The interface dipole potential, defined as the potential shift induced by the (planar-averaged) charge distribution of an electrically neutral region centered at the interface, is estimated to be ËǍ1/40.14 eV. Finally, the role played by the shallow cation 3d states on the band offset is analyzed and its importance is discussed.

Original languageEnglish
Pages (from-to)1291-1295
Number of pages5
JournalPhysical Review B
Volume38
Issue number2
DOIs
Publication statusPublished - 1988

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Core levels
Valence bands
Cations
Positive ions
Superlattices
dipoles
valence
cations
Charge distribution
Binding energy
Band structure
Anions
superlattices
Negative ions
Stabilization
Electrons
charge distribution
gallium arsenide
stabilization
binding energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

N dependence of the valence-band offset in (GaAs)n(AlAs)n : Role of charge redistribution, interface dipoles, and cation 3d states. / Massidda, S.; Min, B. I.; Freeman, Arthur J.

In: Physical Review B, Vol. 38, No. 2, 1988, p. 1291-1295.

Research output: Contribution to journalArticle

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